ChemSpider 2D Image | 2-[3-(4-Chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-N-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]acetamide | C20H22ClN7OS

2-[3-(4-Chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-N-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]acetamide

  • Molecular FormulaC20H22ClN7OS
  • Average mass443.953 Da
  • Monoisotopic mass443.129517 Da
  • ChemSpider ID31607293

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[3-(4-Chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-N-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]acetamide [ACD/IUPAC Name]
2-[3-(4-Chlorophényl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-N-[5-(4-méthyl-1-pipérazinyl)-2-pyridinyl]acétamide [French] [ACD/IUPAC Name]
2-[3-(4-Chlorphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-N-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]acetamid [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole-4-acetamide, 3-(4-chlorophenyl)-1,5-dihydro-N-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]-5-thioxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 54.33
Polar Surface Area: 108 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 305.9±7.0 cm3

Click to predict properties on the Chemicalize site


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